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Home > Fluorides > 1167055-33-5
1167055-33-5 | 1H-Indole, 7-fluoro-5-nitro-
CAS No: 1167055-33-5 Catalog No: AG000D1H MDL No:MFCD12405132
Product Description
Catalog Number:
AG000D1H
Chemical Name:
1H-Indole, 7-fluoro-5-nitro-
CAS Number:
1167055-33-5
Molecular Formula:
C8H5FN2O2
Molecular Weight:
180.1359
MDL Number:
MFCD12405132
IUPAC Name:
7-fluoro-5-nitro-1H-indole
InChI:
InChI=1S/C8H5FN2O2/c9-7-4-6(11(12)13)3-5-1-2-10-8(5)7/h1-4,10H
InChI Key:
ZKQZDAXQBWVXRV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(F)c2c(c1)cc[nH]2
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.034g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.138g/mol
Monoisotopic Mass:
180.034g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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